Glycoside
GD131726
Name:
[3-(hexadec-7-enoyloxy)-2-(octadec-11-enoyloxy)propoxy]({[3,4,5-trihydroxy-2,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexyl]oxy})phosphinic acidFormula:
C55H99O23PSmiles:
CCCCCCC=CCCCCCCCCCC(=O)OC(COC(=O)CCCCCC=CCCCCCCCC)COP(=O)(O)OC1C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CCCCCCC=CCCCCCCCCCC(=O)OC(COC(=O)CCCCCC=CCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.89 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 42 |
| MolWt: | 1159.35 | Num_heavy_atoms: | 79 |
| TPSA: | 367.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD53352
Formula: C43H79O13P
Smiles:
CCCCCCC=CCCCCCCCCCC(=O)OC(COC(=O)CCCCCC=CCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 8.06 | Num_rotatable_bonds: | 36 |
| MolWt: | 835.07 | Num_heavy_atoms: | 57 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
